SCHEMBL1781838

SCHEMBL1781838

[CH]1[CH]NCCNCCNCCNCCN1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
MAPT P10636 1/20 0.50
PDE4A P27815 1/20 0.50
KDR P35968 1/20 0.50
CXCR4 P61073 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1780930 1.00
SCHEMBL1782104 1.00 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL524620 0.87
SCHEMBL1783483 0.82 CXCR4 (0.60) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL1780932 0.75
Piperazine SCHEMBL1091869 0.75 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL1782105 0.75 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL1781839 0.75 HIF1A (0.50) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL21295283 0.72 ALDH1A1 (0.56) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL5033222 0.71 HIF1A (1.00) HIF1AMAPTPDE4AKDRCXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds Westfälische Wilhelms-Universität Münster (DE) 2022-05-17 US disclosed
EP-3841060-A1 METHODS FOR THE DEGRADATION OF SF6 Westfälische Wilhelms-Universität Münster (DE) 2021-06-30 EP disclosed
EP-3601203-B1 PROCESS FOR SYNTHESIZING FLUORINATED CYCLIC ALIPHATIC COMPOUNDS UNIV MUENSTER WESTFAELISCHE WILHELMS (DE) 2021-04-07 EP disclosed
WO-2020200681-A1 POLYMERIZATION METHOD RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2020-10-08 WO disclosed
WO-2020058505-A1 ISOMERIZATION OF ALKENES RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2020-03-26 WO disclosed
US-10581001-B2 Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers OSRAM OLED GMBH (DE) 2020-03-03 US disclosed
EP-3601203-A1 PROCESS FOR SYNTHESIZING FLUORINATED CYCLIC ALIPHATIC COMPOUNDS Westfälische Wilhelms-Universität Münster (DE) 2020-02-05 EP disclosed
US-10411197-B2 Main group metal complexes as P-dopants for organic electronic matrix materials SIEMENS AKTIENGESELLSCHAFT (DE) 2019-09-10 US disclosed
CN-106967122-B The main group metal complex compound of p dopant as organic electronic basis material 西门子公司 2019-08-30 CN disclosed
WO-2019162391-A1 METHOD FOR PRODUCING FLUORINATED HETEROCYCLIC ALIPHATIC COMPOUNDS Westfälische Wilhelms-Universität Münster (DE) 2019-08-29 WO disclosed
US-6340661-B1 FOR BLEACHING FABRIC STAINS WITHOUT UNACCEPTABLE TRANSFER OF DYES BETWEEN FABRICS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-22 US disclosed
WO-2001085717-A1 DIAZACYCLOALKANE DERIVATIVES AS BLEACH CATALYST AND COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-11-15 WO disclosed
US-20010025019-A1 Bleaching composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-09-27 US disclosed
WO-2001064828-A1 LAUNDRY BLEACHING AND DYE TRANSFER INHIBITING COMPOSITION UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001064994-A1 METHOD FOR REDUCING DYE FADING OF FABRICS IN LAUNDRY BLEACHING COMPOSITIONS UNILEVER PLC (GB) 2001-09-07 WO disclosed
US-20010009271-A1 Bleaching composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-07-26 US disclosed
WO-2001048138-A2 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2001-07-05 WO disclosed
WO-2001048137-A1 BLEACHING COMPOSITION UNILEVER N.V. (NL) 2001-07-05 WO disclosed
WO-2001016272-A2 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-03-08 WO disclosed
WO-2000060043-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-10-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11332416-B2 Process for synthesizing fluorinated cyclic aliphatic compounds HRH4, HRH1, AHR HIF1A 3395/4885MAPT 3794/4885PDE4A 3569/4885
US-10581001-B2 Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers SCO2, NCOA4, NR4A2 HIF1A 3899/4885MAPT 4425/4885PDE4A 4488/4885
US-10411197-B2 Main group metal complexes as P-dopants for organic electronic matrix materials SCO2, KMO, NOXO1 HIF1A 3920/4885MAPT 4018/4885PDE4A 4739/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.